 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Mg_re_ligand_colIII_flipped___nometal_energy.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Mg_re_ligand_colIII_flipped___nometal_energy.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-6726.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=      6729.
  
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 This is part of the Gaussian(R) 09 program.  It is based on
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 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                25-Jun-2020 
 ******************************************
 %mem=6GB
 %chk=crystal_high_Mg_re_ligand_colIII_flipped___nometal_energy.chk
 --------------------------------------------
 # b3pw91/6-311++g(3df,3pd) geom=connectivity
 --------------------------------------------
 1/38=1,57=2/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=1616,11=2,16=1,25=1,30=1,74=-6/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge = -1 Multiplicity = 1
 C                    -1   -3.82336  -2.71624  -3.55418 
 C                    0    -3.15438  -1.31896  -3.6222 
 C                    0    -1.92397  -1.1866   -2.76693 
 C                    0    -1.58723  -0.30262  -1.75254 
 N                    0    -0.8082   -2.02943  -2.896 
 C                    0     0.14262  -1.63927  -1.98449 
 N                    0    -0.29493  -0.5903   -1.27182 
 C                    -1   -5.09961  -1.09807  -0.17251 
 C                    0    -5.82425  -0.06801   0.72181 
 C                    0    -5.26934   1.36871   0.55738 
 C                    0    -3.79565   1.43664   0.9518 
 O                    0    -3.40452   0.95042   2.06657 
 O                    0    -2.95239   1.9728    0.06783 
 C                    -1   -2.00328  -4.24612   3.02533 
 C                    0    -0.68583  -3.87635   3.73849 
 C                    0     0.07133  -2.76882   3.0535 
 C                    0    -0.13505  -2.06879   1.87428 
 N                    0     1.23524  -2.20306   3.60209 
 C                    0     1.67849  -1.2046    2.76933 
 N                    0     0.86867  -1.09752   1.70658 
 C                    -1    4.97539  -3.70731  -1.37986 
 C                    0     5.30536  -2.3502   -2.03751 
 C                    0     4.29704  -1.28936  -1.68715 
 C                    0     3.3429   -1.21497  -0.68257 
 N                    0     4.14639  -0.09421  -2.408 
 C                    0     3.12895   0.63948  -1.83968 
 N                    0     2.62114  -0.01718  -0.79015 
 H                    0    -4.72617  -2.73478  -4.17582 
 H                    0    -4.11116  -2.96228  -2.52599 
 H                    0    -3.15642  -3.50843  -3.92194 
 H                    0    -3.87027  -0.55691  -3.296 
 H                    0    -2.90986  -1.08647  -4.66992 
 H                    0    -2.18305   0.49594  -1.334 
 H                    0    -0.72632  -2.80317  -3.54235 
 H                    0     1.10076  -2.12012  -1.87704 
 H                    0    -4.03206  -1.14857   0.07534 
 H                    0    -5.19415  -0.8297   -1.23439 
 H                    0    -5.52796  -2.10073  -0.03887 
 H                    0    -6.89821  -0.06548   0.48681 
 H                    0    -5.71791  -0.3591    1.77402 
 H                    0    -5.38039   1.72097  -0.47468 
 H                    0    -5.83374   2.04896   1.21095 
 H                    0    -2.68029  -3.38521   2.97611 
 H                    0    -2.51403  -5.04894   3.56852 
 H                    0    -1.81702  -4.59789   2.00283 
 H                    0    -0.91216  -3.57305   4.77186 
 H                    0    -0.04773  -4.77067   3.8094 
 H                    0    -0.93606  -2.17321   1.16183 
 H                    0     1.65945  -2.47107   4.48106 
 H                    0     2.52987  -0.57382   2.96478 
 H                    0     4.97048  -3.62779  -0.28597 
 H                    0     3.99469  -4.0773   -1.70251 
 H                    0     5.72745  -4.45551  -1.65388 
 H                    0     5.34519  -2.47529  -3.12976 
 H                    0     6.31106  -2.031    -1.72584 
 H                    0     3.12242  -1.93102   0.09165 
 H                    0     4.68782   0.17634  -3.21932 
 H                    0     2.77551   1.59047  -2.20409 
 O                    0    -0.83168   1.28331   1.12865 
 H                    0    -1.28268   0.93376   1.93038 
 H                    0    -1.67682   1.67473   0.57917 
 C                    0     2.77322   2.71372   1.61594 
 O                    0     2.16427   1.60146   1.62699 
 N                    0     2.14875   3.87781   1.27116 
 C                    0     0.70702   3.97096   1.01005 
 C                    0     0.30045   3.46115  -0.37996 
 O                    0     0.81188   2.38441  -0.83967 
 N                    0    -0.66376   4.15067  -1.01911 
 H                    0     0.16963   3.3159    1.70867 
 H                    0     0.38751   5.00518   1.17279 
 H                    0     2.69783   4.72841   1.23651 
 H                    0    -1.06155   4.96116  -0.5555 
 C                    0    -1.3774    3.65032  -2.21096 
 H                    0    -1.56331   4.47818  -2.90251 
 H                    0    -0.75673   2.8971   -2.69997 
 H                    0    -2.3207    3.19147  -1.89228 
 C                    0     4.23427   2.80846   2.01122 
 H                    0     4.33281   2.57373   3.0778 
 H                    0     4.8059    2.05962   1.45412 
 H                    0     4.66621   3.79825   1.83256 
 
 Stoichiometry    C24H43N8O5(1-)
 Framework group  C1[X(C24H43N8O5)]
 Deg. of freedom   234
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.765390   -2.699406   -3.562783
      2          6           0       -3.104380   -1.297980   -3.622932
      3          6           0       -1.876603   -1.162432   -2.764404
      4          6           0       -1.547167   -0.281190   -1.745237
      5          7           0       -0.755682   -1.998176   -2.894915
      6          6           0        0.190905   -1.606713   -1.979567
      7          7           0       -0.254255   -0.563589   -1.263038
      8          6           0       -5.058254   -1.104247   -0.176500
      9          6           0       -5.790774   -0.082527    0.720965
     10          6           0       -5.243861    1.358129    0.564334
     11          6           0       -3.771438    1.432776    0.962262
     12          8           0       -3.379881    0.943707    2.075627
     13          8           0       -2.929416    1.977881    0.082590
     14          6           0       -1.950562   -4.248978    3.013569
     15          6           0       -0.636809   -3.874866    3.731279
     16          6           0        0.115373   -2.759831    3.053022
     17          6           0       -0.092536   -2.055584    1.876579
     18          7           0        1.274799   -2.189863    3.606728
     19          6           0        1.714030   -1.185026    2.779524
     20          7           0        0.905884   -1.077757    1.715516
     21          6           0        5.034287   -3.649466   -1.373944
     22          6           0        5.357779   -2.287458   -2.024648
     23          6           0        4.342572   -1.234106   -1.671606
     24          6           0        3.385868   -1.169873   -0.668771
     25          7           0        4.186530   -0.036539   -2.387293
     26          6           0        3.163635    0.688612   -1.817817
     27          7           0        2.657398    0.024199   -0.772419
     28          1           0       -4.666740   -2.720324   -4.186453
     29          1           0       -4.053956   -2.951846   -2.536357
     30          1           0       -3.093075   -3.486021   -3.932724
     31          1           0       -3.825379   -0.541599   -3.294801
     32          1           0       -2.858969   -1.059251   -4.669042
     33          1           0       -2.148513    0.511972   -1.324328
     34          1           0       -0.667929   -2.768446   -3.544629
     35          1           0        1.151586   -2.082490   -1.872244
     36          1           0       -3.990963   -1.149691    0.073436
     37          1           0       -5.152071   -0.831544   -1.237340
     38          1           0       -5.481060   -2.109975   -0.048389
     39          1           0       -6.864229   -0.085142    0.483648
     40          1           0       -5.685001   -0.377830    1.772055
     41          1           0       -5.354738    1.714478   -0.466330
     42          1           0       -5.813599    2.032079    1.219794
     43          1           0       -2.632446   -3.391795    2.966835
     44          1           0       -2.457805   -5.057236    3.551956
     45          1           0       -1.760072   -4.594957    1.989875
     46          1           0       -0.867108   -3.577642    4.765529
     47          1           0        0.006317   -4.765795    3.799463
     48          1           0       -0.891403   -2.161366    1.161923
     49          1           0        1.698674   -2.459456    4.485377
     50          1           0        2.561312   -0.550232    2.979710
     51          1           0        5.026571   -3.575018   -0.279720
     52          1           0        4.056447   -4.023645   -1.700420
     53          1           0        5.791265   -4.392032   -1.649763
     54          1           0        5.400676   -2.407288   -3.117365
     55          1           0        6.360946   -1.963880   -1.709335
     56          1           0        3.167894   -1.890743    0.101671
     57          1           0        4.728118    0.240871   -3.196189
     58          1           0        2.805465    1.639207   -2.178622
     59          8           0       -0.807015    1.295814    1.144834
     60          1           0       -1.257700    0.939974    1.943969
     61          1           0       -1.653230    1.684858    0.595327
     62          6           0        2.788469    2.744830    1.646502
     63          8           0        2.185962    1.629025    1.651130
     64          7           0        2.157995    3.906864    1.305720
     65          6           0        0.716310    3.992850    1.041906
     66          6           0        0.315685    3.487098   -0.351307
     67          8           0        0.834339    2.415470   -0.814844
     68          7           0       -0.651138    4.173954   -0.989375
     69          1           0        0.181230    3.331485    1.736349
     70          1           0        0.390454    5.024443    1.208697
     71          1           0        2.702198    4.760782    1.276161
     72          1           0       -1.054618    4.979980   -0.522910
     73          6           0       -1.359305    3.674970   -2.185054
     74          1           0       -1.548541    4.504907   -2.873194
     75          1           0       -0.733226    2.927620   -2.676171
     76          1           0       -2.300614    3.209193   -1.870534
     77          6           0        4.248096    2.846223    2.045385
     78          1           0        4.345707    2.607162    3.111087
     79          1           0        4.825257    2.103280    1.486093
     80          1           0        4.674663    3.839305    1.872206
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0975621      0.0739743      0.0670405
 Standard basis: 6-311++G(3df,3pd) (5D, 7F)
 There are  2482 symmetry adapted cartesian basis functions of A   symmetry.
 There are  2217 symmetry adapted basis functions of A   symmetry.
  2217 basis functions,  3049 primitive gaussians,  2482 cartesian basis functions
   142 alpha electrons      142 beta electrons
       nuclear repulsion energy      4452.2217623099 Hartrees.
 NAtoms=   80 NActive=   80 NUniq=   80 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  2217 RedAO= T EigKep=  1.08D-06  NBF=  2217
 NBsUse=  2214 1.00D-06 EigRej=  4.04D-07 NBFU=  2214
 ExpMin= 3.60D-02 ExpMax= 8.59D+03 ExpMxC= 1.30D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  408 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  408 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3PW91) =  -1754.52382947     A.U. after   21 cycles
            NFock= 21  Conv=0.16D-08     -V/T= 2.0057

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.93891 -18.92926 -18.91332 -18.90919 -18.84711
 Alpha  occ. eigenvalues --  -14.25013 -14.23572 -14.23323 -14.22194 -14.21344
 Alpha  occ. eigenvalues --  -14.15266 -14.14112 -14.13818 -10.13561 -10.12395
 Alpha  occ. eigenvalues --  -10.10430 -10.09409 -10.08837 -10.08744 -10.08110
 Alpha  occ. eigenvalues --  -10.07979 -10.07751 -10.07655 -10.07504 -10.07330
 Alpha  occ. eigenvalues --  -10.07155 -10.06806 -10.06694 -10.06562 -10.06541
 Alpha  occ. eigenvalues --  -10.06092 -10.05365 -10.04257 -10.03877 -10.03336
 Alpha  occ. eigenvalues --  -10.03156 -10.02903  -0.88939  -0.88725  -0.87528
 Alpha  occ. eigenvalues --   -0.87228  -0.87104  -0.86564  -0.79807  -0.78926
 Alpha  occ. eigenvalues --   -0.77777  -0.74125  -0.72905  -0.72588  -0.72375
 Alpha  occ. eigenvalues --   -0.70646  -0.68877  -0.68545  -0.66586  -0.65033
 Alpha  occ. eigenvalues --   -0.61873  -0.61264  -0.60519  -0.60368  -0.57473
 Alpha  occ. eigenvalues --   -0.56627  -0.55095  -0.53400  -0.53139  -0.49540
 Alpha  occ. eigenvalues --   -0.48140  -0.48055  -0.47734  -0.47616  -0.46851
 Alpha  occ. eigenvalues --   -0.46176  -0.45325  -0.45291  -0.42296  -0.40875
 Alpha  occ. eigenvalues --   -0.40674  -0.40652  -0.37932  -0.37823  -0.37507
 Alpha  occ. eigenvalues --   -0.36130  -0.35738  -0.35390  -0.35244  -0.34053
 Alpha  occ. eigenvalues --   -0.33784  -0.33707  -0.33497  -0.33157  -0.33023
 Alpha  occ. eigenvalues --   -0.32731  -0.32225  -0.31400  -0.31141  -0.30805
 Alpha  occ. eigenvalues --   -0.30270  -0.29996  -0.29772  -0.29560  -0.28861
 Alpha  occ. eigenvalues --   -0.28729  -0.28568  -0.28141  -0.27989  -0.27749
 Alpha  occ. eigenvalues --   -0.27477  -0.27273  -0.27222  -0.27056  -0.26997
 Alpha  occ. eigenvalues --   -0.26507  -0.26299  -0.26286  -0.25956  -0.25714
 Alpha  occ. eigenvalues --   -0.25545  -0.25337  -0.24157  -0.23113  -0.22689
 Alpha  occ. eigenvalues --   -0.22413  -0.21596  -0.20687  -0.20047  -0.16570
 Alpha  occ. eigenvalues --   -0.16047  -0.14785  -0.14414  -0.14092  -0.12903
 Alpha  occ. eigenvalues --   -0.12149  -0.11915  -0.11440  -0.10926  -0.10747
 Alpha  occ. eigenvalues --   -0.10046  -0.09910  -0.09730  -0.09449  -0.08650
 Alpha  occ. eigenvalues --   -0.06439  -0.05443
 Alpha virt. eigenvalues --    0.06081   0.06977   0.07061   0.07224   0.07697
 Alpha virt. eigenvalues --    0.08253   0.08530   0.08540   0.09283   0.09448
 Alpha virt. eigenvalues --    0.09536   0.09743   0.10122   0.10575   0.10726
 Alpha virt. eigenvalues --    0.11041   0.11158   0.11714   0.11907   0.12012
 Alpha virt. eigenvalues --    0.12244   0.12584   0.12694   0.12992   0.13116
 Alpha virt. eigenvalues --    0.13278   0.13524   0.13694   0.13933   0.14185
 Alpha virt. eigenvalues --    0.14253   0.14433   0.14756   0.14847   0.15020
 Alpha virt. eigenvalues --    0.15182   0.15345   0.15730   0.15930   0.16174
 Alpha virt. eigenvalues --    0.16344   0.16432   0.16602   0.16775   0.16992
 Alpha virt. eigenvalues --    0.17173   0.17381   0.17471   0.17596   0.17769
 Alpha virt. eigenvalues --    0.17870   0.18088   0.18257   0.18345   0.18559
 Alpha virt. eigenvalues --    0.18651   0.18822   0.18904   0.19041   0.19330
 Alpha virt. eigenvalues --    0.19346   0.19567   0.19692   0.20076   0.20187
 Alpha virt. eigenvalues --    0.20361   0.20435   0.20665   0.20728   0.20871
 Alpha virt. eigenvalues --    0.21008   0.21153   0.21407   0.21515   0.21609
 Alpha virt. eigenvalues --    0.21976   0.22133   0.22157   0.22359   0.22477
 Alpha virt. eigenvalues --    0.22733   0.22799   0.22848   0.22951   0.23157
 Alpha virt. eigenvalues --    0.23260   0.23474   0.23671   0.23808   0.23881
 Alpha virt. eigenvalues --    0.24143   0.24218   0.24493   0.24738   0.24765
 Alpha virt. eigenvalues --    0.24913   0.24975   0.25041   0.25249   0.25449
 Alpha virt. eigenvalues --    0.25575   0.25689   0.25999   0.26081   0.26167
 Alpha virt. eigenvalues --    0.26300   0.26458   0.26539   0.26646   0.26756
 Alpha virt. eigenvalues --    0.26937   0.27202   0.27412   0.27506   0.27644
 Alpha virt. eigenvalues --    0.27969   0.28140   0.28290   0.28482   0.28650
 Alpha virt. eigenvalues --    0.28763   0.28871   0.28963   0.29224   0.29435
 Alpha virt. eigenvalues --    0.29662   0.29773   0.29930   0.30116   0.30333
 Alpha virt. eigenvalues --    0.30628   0.30811   0.30832   0.31050   0.31152
 Alpha virt. eigenvalues --    0.31297   0.31471   0.31660   0.31894   0.32004
 Alpha virt. eigenvalues --    0.32151   0.32373   0.32423   0.32692   0.32917
 Alpha virt. eigenvalues --    0.33277   0.33368   0.33536   0.33739   0.33902
 Alpha virt. eigenvalues --    0.33960   0.34248   0.34299   0.34541   0.34759
 Alpha virt. eigenvalues --    0.34880   0.35089   0.35233   0.35361   0.35731
 Alpha virt. eigenvalues --    0.35888   0.36065   0.36329   0.36338   0.36441
 Alpha virt. eigenvalues --    0.36749   0.36901   0.37024   0.37128   0.37367
 Alpha virt. eigenvalues --    0.37501   0.37695   0.37888   0.37991   0.38162
 Alpha virt. eigenvalues --    0.38266   0.38432   0.38502   0.38638   0.38769
 Alpha virt. eigenvalues --    0.39055   0.39119   0.39397   0.39445   0.39584
 Alpha virt. eigenvalues --    0.39736   0.39847   0.39977   0.40198   0.40296
 Alpha virt. eigenvalues --    0.40458   0.40735   0.40921   0.41114   0.41167
 Alpha virt. eigenvalues --    0.41471   0.41537   0.41608   0.41854   0.41927
 Alpha virt. eigenvalues --    0.42127   0.42217   0.42481   0.42569   0.42795
 Alpha virt. eigenvalues --    0.43009   0.43172   0.43357   0.43619   0.43920
 Alpha virt. eigenvalues --    0.44041   0.44105   0.44272   0.44467   0.44571
 Alpha virt. eigenvalues --    0.44820   0.44966   0.45348   0.45447   0.45739
 Alpha virt. eigenvalues --    0.45817   0.46001   0.46068   0.46369   0.46547
 Alpha virt. eigenvalues --    0.46719   0.46745   0.47058   0.47211   0.47457
 Alpha virt. eigenvalues --    0.47690   0.47905   0.48166   0.48320   0.48508
 Alpha virt. eigenvalues --    0.48670   0.48738   0.48935   0.49330   0.49425
 Alpha virt. eigenvalues --    0.49772   0.49988   0.50133   0.50323   0.50666
 Alpha virt. eigenvalues --    0.50672   0.50912   0.50962   0.51383   0.51456
 Alpha virt. eigenvalues --    0.51723   0.51931   0.52055   0.52156   0.52433
 Alpha virt. eigenvalues --    0.52798   0.52996   0.53095   0.53424   0.53679
 Alpha virt. eigenvalues --    0.53900   0.54065   0.54402   0.54491   0.54731
 Alpha virt. eigenvalues --    0.54893   0.55089   0.55331   0.55567   0.55647
 Alpha virt. eigenvalues --    0.55809   0.56151   0.56359   0.56744   0.56826
 Alpha virt. eigenvalues --    0.56947   0.57288   0.57355   0.57463   0.57782
 Alpha virt. eigenvalues --    0.57797   0.58101   0.58326   0.58480   0.58658
 Alpha virt. eigenvalues --    0.58890   0.58923   0.59305   0.59635   0.60045
 Alpha virt. eigenvalues --    0.60169   0.60217   0.60395   0.60550   0.60616
 Alpha virt. eigenvalues --    0.60810   0.61058   0.61388   0.61537   0.61561
 Alpha virt. eigenvalues --    0.61612   0.61857   0.62016   0.62150   0.62271
 Alpha virt. eigenvalues --    0.62479   0.62646   0.63032   0.63213   0.63420
 Alpha virt. eigenvalues --    0.63426   0.63719   0.63823   0.64015   0.64191
 Alpha virt. eigenvalues --    0.64275   0.64488   0.64788   0.64956   0.65101
 Alpha virt. eigenvalues --    0.65259   0.65374   0.65537   0.65621   0.65959
 Alpha virt. eigenvalues --    0.66295   0.66528   0.66687   0.66803   0.66846
 Alpha virt. eigenvalues --    0.66943   0.67186   0.67358   0.67463   0.67661
 Alpha virt. eigenvalues --    0.67794   0.67838   0.68125   0.68437   0.68646
 Alpha virt. eigenvalues --    0.68723   0.68757   0.68831   0.69027   0.69136
 Alpha virt. eigenvalues --    0.69527   0.69599   0.69759   0.69998   0.70026
 Alpha virt. eigenvalues --    0.70110   0.70441   0.70478   0.70814   0.71077
 Alpha virt. eigenvalues --    0.71244   0.71426   0.71524   0.71598   0.71866
 Alpha virt. eigenvalues --    0.71970   0.72404   0.72533   0.72544   0.72622
 Alpha virt. eigenvalues --    0.72760   0.73048   0.73325   0.73424   0.73567
 Alpha virt. eigenvalues --    0.73896   0.74055   0.74150   0.74323   0.74661
 Alpha virt. eigenvalues --    0.74774   0.74957   0.75227   0.75347   0.75562
 Alpha virt. eigenvalues --    0.75776   0.75856   0.76286   0.76335   0.76747
 Alpha virt. eigenvalues --    0.76763   0.76941   0.77021   0.77194   0.77434
 Alpha virt. eigenvalues --    0.77510   0.77601   0.77983   0.78146   0.78447
 Alpha virt. eigenvalues --    0.78719   0.78954   0.79210   0.79349   0.79522
 Alpha virt. eigenvalues --    0.79739   0.79925   0.79985   0.80415   0.80595
 Alpha virt. eigenvalues --    0.80706   0.80876   0.81148   0.81272   0.81496
 Alpha virt. eigenvalues --    0.81766   0.81831   0.81976   0.82188   0.82602
 Alpha virt. eigenvalues --    0.82624   0.82737   0.83135   0.83628   0.83748
 Alpha virt. eigenvalues --    0.84028   0.84153   0.84323   0.84497   0.84904
 Alpha virt. eigenvalues --    0.85220   0.85380   0.85515   0.85746   0.85983
 Alpha virt. eigenvalues --    0.86233   0.86327   0.86662   0.86810   0.86858
 Alpha virt. eigenvalues --    0.86993   0.87438   0.87545   0.87745   0.87992
 Alpha virt. eigenvalues --    0.88147   0.88308   0.88431   0.88844   0.88989
 Alpha virt. eigenvalues --    0.89350   0.89489   0.89774   0.89915   0.90271
 Alpha virt. eigenvalues --    0.90361   0.90526   0.90619   0.90848   0.91145
 Alpha virt. eigenvalues --    0.91222   0.91377   0.91682   0.91872   0.92059
 Alpha virt. eigenvalues --    0.92532   0.92736   0.92837   0.92948   0.93276
 Alpha virt. eigenvalues --    0.93497   0.93669   0.93837   0.94093   0.94276
 Alpha virt. eigenvalues --    0.94400   0.94602   0.94881   0.95072   0.95253
 Alpha virt. eigenvalues --    0.95483   0.95675   0.95805   0.96041   0.96185
 Alpha virt. eigenvalues --    0.96397   0.96428   0.96472   0.96712   0.97079
 Alpha virt. eigenvalues --    0.97288   0.97364   0.97461   0.97916   0.98015
 Alpha virt. eigenvalues --    0.98332   0.98609   0.98822   0.99029   0.99276
 Alpha virt. eigenvalues --    0.99355   0.99619   0.99714   0.99922   1.00249
 Alpha virt. eigenvalues --    1.00503   1.00693   1.00848   1.00895   1.01194
 Alpha virt. eigenvalues --    1.01452   1.01737   1.02043   1.02219   1.02401
 Alpha virt. eigenvalues --    1.02629   1.02712   1.03164   1.03230   1.03431
 Alpha virt. eigenvalues --    1.03569   1.04005   1.04055   1.04417   1.04577
 Alpha virt. eigenvalues --    1.04624   1.04857   1.05149   1.05575   1.05682
 Alpha virt. eigenvalues --    1.05907   1.06152   1.06447   1.06685   1.06749
 Alpha virt. eigenvalues --    1.07181   1.07228   1.07623   1.07715   1.07791
 Alpha virt. eigenvalues --    1.07909   1.08188   1.08515   1.08637   1.08925
 Alpha virt. eigenvalues --    1.09091   1.09373   1.09466   1.09654   1.10023
 Alpha virt. eigenvalues --    1.10183   1.10341   1.10627   1.10811   1.11252
 Alpha virt. eigenvalues --    1.11447   1.11583   1.11859   1.12001   1.12366
 Alpha virt. eigenvalues --    1.12550   1.12669   1.12839   1.13180   1.13409
 Alpha virt. eigenvalues --    1.13575   1.13788   1.13996   1.14327   1.14553
 Alpha virt. eigenvalues --    1.14644   1.14737   1.15280   1.15421   1.15522
 Alpha virt. eigenvalues --    1.15615   1.16003   1.16144   1.16182   1.16573
 Alpha virt. eigenvalues --    1.16981   1.17332   1.17354   1.17529   1.17717
 Alpha virt. eigenvalues --    1.18110   1.18219   1.18666   1.18733   1.19001
 Alpha virt. eigenvalues --    1.19481   1.19665   1.19821   1.20124   1.20394
 Alpha virt. eigenvalues --    1.20712   1.20790   1.21117   1.21195   1.21493
 Alpha virt. eigenvalues --    1.21910   1.22045   1.22471   1.22551   1.22599
 Alpha virt. eigenvalues --    1.22659   1.22961   1.23261   1.23849   1.24342
 Alpha virt. eigenvalues --    1.24418   1.24644   1.24850   1.25338   1.25565
 Alpha virt. eigenvalues --    1.25740   1.25970   1.26276   1.26431   1.27059
 Alpha virt. eigenvalues --    1.27404   1.27592   1.27835   1.27935   1.28212
 Alpha virt. eigenvalues --    1.28560   1.28795   1.28993   1.29224   1.29776
 Alpha virt. eigenvalues --    1.29984   1.30099   1.30553   1.30673   1.31022
 Alpha virt. eigenvalues --    1.31747   1.31995   1.32116   1.32408   1.33142
 Alpha virt. eigenvalues --    1.33166   1.33359   1.34064   1.34312   1.34617
 Alpha virt. eigenvalues --    1.34991   1.35258   1.35551   1.35971   1.36061
 Alpha virt. eigenvalues --    1.36134   1.36472   1.37113   1.37475   1.37704
 Alpha virt. eigenvalues --    1.37790   1.38315   1.38686   1.39241   1.39299
 Alpha virt. eigenvalues --    1.39384   1.39841   1.40449   1.40790   1.41273
 Alpha virt. eigenvalues --    1.41464   1.42057   1.42253   1.42623   1.42856
 Alpha virt. eigenvalues --    1.43139   1.43792   1.44085   1.44355   1.44715
 Alpha virt. eigenvalues --    1.44979   1.46036   1.46074   1.46392   1.46896
 Alpha virt. eigenvalues --    1.47267   1.47442   1.48062   1.48558   1.48708
 Alpha virt. eigenvalues --    1.49229   1.49684   1.50318   1.50467   1.51009
 Alpha virt. eigenvalues --    1.51220   1.51628   1.51921   1.52241   1.52670
 Alpha virt. eigenvalues --    1.53098   1.53329   1.53394   1.54307   1.54442
 Alpha virt. eigenvalues --    1.54953   1.55101   1.55322   1.55536   1.56148
 Alpha virt. eigenvalues --    1.56679   1.56955   1.57186   1.57759   1.58167
 Alpha virt. eigenvalues --    1.58383   1.58658   1.59127   1.59774   1.60249
 Alpha virt. eigenvalues --    1.60825   1.61395   1.61894   1.61954   1.62417
 Alpha virt. eigenvalues --    1.62467   1.62854   1.63361   1.64255   1.64819
 Alpha virt. eigenvalues --    1.64923   1.65733   1.66021   1.66231   1.66646
 Alpha virt. eigenvalues --    1.67766   1.68041   1.68238   1.68665   1.68934
 Alpha virt. eigenvalues --    1.69110   1.69362   1.70085   1.70515   1.70743
 Alpha virt. eigenvalues --    1.70848   1.71332   1.71823   1.71935   1.72390
 Alpha virt. eigenvalues --    1.72864   1.73243   1.73906   1.74087   1.74283
 Alpha virt. eigenvalues --    1.75196   1.75483   1.76013   1.76675   1.77042
 Alpha virt. eigenvalues --    1.77388   1.77605   1.77968   1.78531   1.78607
 Alpha virt. eigenvalues --    1.78958   1.79153   1.79752   1.79959   1.80528
 Alpha virt. eigenvalues --    1.80725   1.81783   1.81953   1.82117   1.82560
 Alpha virt. eigenvalues --    1.82798   1.83072   1.83523   1.84173   1.84379
 Alpha virt. eigenvalues --    1.85004   1.85119   1.85698   1.85871   1.86055
 Alpha virt. eigenvalues --    1.86336   1.86732   1.87053   1.87486   1.87665
 Alpha virt. eigenvalues --    1.88330   1.88430   1.88617   1.89136   1.89279
 Alpha virt. eigenvalues --    1.89506   1.90140   1.90365   1.90543   1.90859
 Alpha virt. eigenvalues --    1.91187   1.91368   1.91548   1.92111   1.92437
 Alpha virt. eigenvalues --    1.92587   1.92838   1.93339   1.93536   1.93813
 Alpha virt. eigenvalues --    1.93867   1.94537   1.94819   1.95106   1.95297
 Alpha virt. eigenvalues --    1.95538   1.95991   1.96103   1.96371   1.96588
 Alpha virt. eigenvalues --    1.96878   1.97510   1.97638   1.98142   1.98232
 Alpha virt. eigenvalues --    1.98349   1.98819   1.98993   1.99781   1.99868
 Alpha virt. eigenvalues --    2.00215   2.00426   2.00761   2.00814   2.01460
 Alpha virt. eigenvalues --    2.01771   2.01848   2.02500   2.02814   2.03235
 Alpha virt. eigenvalues --    2.03317   2.03455   2.03890   2.04291   2.04800
 Alpha virt. eigenvalues --    2.05071   2.05192   2.05590   2.05876   2.06264
 Alpha virt. eigenvalues --    2.06479   2.06980   2.07300   2.07601   2.07879
 Alpha virt. eigenvalues --    2.07928   2.08649   2.09007   2.09257   2.09841
 Alpha virt. eigenvalues --    2.10105   2.10875   2.11158   2.11449   2.11959
 Alpha virt. eigenvalues --    2.12462   2.12670   2.12864   2.12997   2.13431
 Alpha virt. eigenvalues --    2.13787   2.14055   2.14160   2.14751   2.15140
 Alpha virt. eigenvalues --    2.15315   2.15524   2.16028   2.16107   2.16854
 Alpha virt. eigenvalues --    2.17172   2.17478   2.18354   2.18651   2.18973
 Alpha virt. eigenvalues --    2.19006   2.19542   2.19797   2.19809   2.20583
 Alpha virt. eigenvalues --    2.20903   2.21042   2.21557   2.21782   2.22818
 Alpha virt. eigenvalues --    2.23207   2.23621   2.23796   2.24571   2.24665
 Alpha virt. eigenvalues --    2.24924   2.25404   2.26010   2.26244   2.26558
 Alpha virt. eigenvalues --    2.27098   2.27595   2.27741   2.28895   2.29318
 Alpha virt. eigenvalues --    2.29740   2.29859   2.30491   2.30814   2.30929
 Alpha virt. eigenvalues --    2.31396   2.32307   2.32667   2.32926   2.33365
 Alpha virt. eigenvalues --    2.33672   2.33933   2.34411   2.35284   2.35625
 Alpha virt. eigenvalues --    2.35702   2.36264   2.36872   2.37365   2.37747
 Alpha virt. eigenvalues --    2.38206   2.38419   2.38928   2.39334   2.39506
 Alpha virt. eigenvalues --    2.39971   2.40966   2.41291   2.42193   2.42436
 Alpha virt. eigenvalues --    2.42829   2.43056   2.43344   2.44265   2.44400
 Alpha virt. eigenvalues --    2.45310   2.45696   2.45820   2.46381   2.46752
 Alpha virt. eigenvalues --    2.46892   2.47930   2.48245   2.48658   2.49232
 Alpha virt. eigenvalues --    2.49663   2.50215   2.50435   2.50961   2.51351
 Alpha virt. eigenvalues --    2.52295   2.52658   2.53286   2.53366   2.53852
 Alpha virt. eigenvalues --    2.54245   2.54586   2.54951   2.55509   2.55585
 Alpha virt. eigenvalues --    2.55833   2.56276   2.56652   2.56816   2.57156
 Alpha virt. eigenvalues --    2.58058   2.58311   2.58531   2.58618   2.59015
 Alpha virt. eigenvalues --    2.59694   2.59835   2.60126   2.60779   2.61405
 Alpha virt. eigenvalues --    2.61662   2.62496   2.62569   2.63473   2.64603
 Alpha virt. eigenvalues --    2.64672   2.65569   2.65700   2.66652   2.67157
 Alpha virt. eigenvalues --    2.67446   2.68136   2.68335   2.68676   2.69096
 Alpha virt. eigenvalues --    2.69526   2.69810   2.70104   2.70273   2.70818
 Alpha virt. eigenvalues --    2.71042   2.71886   2.72420   2.72712   2.72912
 Alpha virt. eigenvalues --    2.73427   2.74073   2.74285   2.74545   2.74822
 Alpha virt. eigenvalues --    2.75335   2.75600   2.75970   2.76397   2.76866
 Alpha virt. eigenvalues --    2.77031   2.77352   2.77682   2.78168   2.78862
 Alpha virt. eigenvalues --    2.79194   2.79255   2.79513   2.79819   2.80252
 Alpha virt. eigenvalues --    2.80900   2.81474   2.81769   2.82142   2.82749
 Alpha virt. eigenvalues --    2.82924   2.83164   2.83459   2.83927   2.84115
 Alpha virt. eigenvalues --    2.84437   2.84598   2.84967   2.85707   2.85841
 Alpha virt. eigenvalues --    2.86344   2.86867   2.87290   2.87833   2.88316
 Alpha virt. eigenvalues --    2.88745   2.89189   2.89602   2.89781   2.90048
 Alpha virt. eigenvalues --    2.90516   2.90731   2.91137   2.91332   2.91692
 Alpha virt. eigenvalues --    2.92036   2.92791   2.92953   2.93294   2.93673
 Alpha virt. eigenvalues --    2.94137   2.94631   2.94776   2.95163   2.95269
 Alpha virt. eigenvalues --    2.95634   2.96251   2.96661   2.96789   2.97339
 Alpha virt. eigenvalues --    2.98231   2.99132   2.99441   2.99671   3.00026
 Alpha virt. eigenvalues --    3.00166   3.00705   3.01260   3.01902   3.02156
 Alpha virt. eigenvalues --    3.02674   3.03128   3.03417   3.03569   3.04012
 Alpha virt. eigenvalues --    3.04234   3.04301   3.05113   3.05376   3.05967
 Alpha virt. eigenvalues --    3.06128   3.06780   3.06902   3.07350   3.07880
 Alpha virt. eigenvalues --    3.08201   3.08389   3.08876   3.09028   3.09383
 Alpha virt. eigenvalues --    3.09655   3.09957   3.10375   3.10574   3.10789
 Alpha virt. eigenvalues --    3.10955   3.11131   3.11289   3.11996   3.12126
 Alpha virt. eigenvalues --    3.12844   3.13095   3.13211   3.13708   3.14125
 Alpha virt. eigenvalues --    3.14350   3.14562   3.15143   3.15397   3.15543
 Alpha virt. eigenvalues --    3.15826   3.16334   3.16402   3.17046   3.17216
 Alpha virt. eigenvalues --    3.17413   3.17605   3.18005   3.18063   3.18349
 Alpha virt. eigenvalues --    3.18512   3.18949   3.19141   3.19512   3.19630
 Alpha virt. eigenvalues --    3.20087   3.20348   3.20818   3.20984   3.21433
 Alpha virt. eigenvalues --    3.21734   3.22091   3.22250   3.22369   3.22749
 Alpha virt. eigenvalues --    3.22972   3.23181   3.23570   3.23682   3.23710
 Alpha virt. eigenvalues --    3.23923   3.24577   3.24703   3.25070   3.25333
 Alpha virt. eigenvalues --    3.25431   3.25861   3.26207   3.26647   3.26766
 Alpha virt. eigenvalues --    3.27006   3.27524   3.28075   3.28137   3.28362
 Alpha virt. eigenvalues --    3.28693   3.29275   3.29402   3.29655   3.29886
 Alpha virt. eigenvalues --    3.30382   3.30674   3.31071   3.31528   3.31700
 Alpha virt. eigenvalues --    3.31921   3.32326   3.32602   3.33216   3.33412
 Alpha virt. eigenvalues --    3.33744   3.33883   3.34300   3.34536   3.34740
 Alpha virt. eigenvalues --    3.35033   3.35460   3.35735   3.35868   3.36320
 Alpha virt. eigenvalues --    3.36722   3.37042   3.37521   3.37657   3.37844
 Alpha virt. eigenvalues --    3.38763   3.38826   3.39313   3.39373   3.39963
 Alpha virt. eigenvalues --    3.40375   3.40532   3.40784   3.41199   3.41447
 Alpha virt. eigenvalues --    3.41839   3.42376   3.42982   3.43436   3.43691
 Alpha virt. eigenvalues --    3.43840   3.44043   3.44482   3.44885   3.45062
 Alpha virt. eigenvalues --    3.45386   3.45632   3.46328   3.46483   3.46776
 Alpha virt. eigenvalues --    3.47046   3.47339   3.47779   3.48234   3.48661
 Alpha virt. eigenvalues --    3.48893   3.49299   3.49586   3.49686   3.50130
 Alpha virt. eigenvalues --    3.50719   3.51128   3.51899   3.52216   3.52727
 Alpha virt. eigenvalues --    3.52961   3.53122   3.53587   3.53608   3.54220
 Alpha virt. eigenvalues --    3.55026   3.55383   3.55802   3.56045   3.56483
 Alpha virt. eigenvalues --    3.56534   3.57086   3.57572   3.58076   3.58545
 Alpha virt. eigenvalues --    3.58859   3.59030   3.59197   3.59583   3.59970
 Alpha virt. eigenvalues --    3.60655   3.60823   3.61206   3.61418   3.61956
 Alpha virt. eigenvalues --    3.62187   3.62392   3.62952   3.63084   3.63178
 Alpha virt. eigenvalues --    3.63586   3.64045   3.64418   3.64548   3.64891
 Alpha virt. eigenvalues --    3.65005   3.65258   3.65710   3.66031   3.66255
 Alpha virt. eigenvalues --    3.66374   3.67044   3.67395   3.67793   3.67933
 Alpha virt. eigenvalues --    3.68068   3.68845   3.69390   3.69781   3.70831
 Alpha virt. eigenvalues --    3.71199   3.72058   3.72242   3.72636   3.72961
 Alpha virt. eigenvalues --    3.73399   3.73671   3.74353   3.74534   3.75337
 Alpha virt. eigenvalues --    3.75456   3.76242   3.76960   3.77041   3.77517
 Alpha virt. eigenvalues --    3.77878   3.77898   3.78242   3.78515   3.78730
 Alpha virt. eigenvalues --    3.79307   3.79858   3.80179   3.80825   3.81236
 Alpha virt. eigenvalues --    3.82244   3.82880   3.83721   3.84171   3.85071
 Alpha virt. eigenvalues --    3.85767   3.85920   3.86360   3.86758   3.87125
 Alpha virt. eigenvalues --    3.87712   3.87978   3.88477   3.88930   3.89341
 Alpha virt. eigenvalues --    3.89593   3.89958   3.91224   3.91430   3.91609
 Alpha virt. eigenvalues --    3.92202   3.92352   3.93621   3.94550   3.95486
 Alpha virt. eigenvalues --    3.95943   3.96879   3.97031   3.97568   3.98495
 Alpha virt. eigenvalues --    3.98829   3.98957   3.99673   3.99944   4.01009
 Alpha virt. eigenvalues --    4.01522   4.01960   4.02386   4.03159   4.03872
 Alpha virt. eigenvalues --    4.04378   4.05022   4.05481   4.06150   4.06946
 Alpha virt. eigenvalues --    4.07178   4.07470   4.08456   4.08924   4.09486
 Alpha virt. eigenvalues --    4.09954   4.10300   4.10572   4.11222   4.11427
 Alpha virt. eigenvalues --    4.11587   4.12033   4.12553   4.13064   4.13415
 Alpha virt. eigenvalues --    4.13670   4.13855   4.14329   4.14934   4.15621
 Alpha virt. eigenvalues --    4.16306   4.17077   4.17294   4.17914   4.18886
 Alpha virt. eigenvalues --    4.19280   4.19490   4.20931   4.21544   4.22124
 Alpha virt. eigenvalues --    4.22412   4.22853   4.23096   4.23822   4.24765
 Alpha virt. eigenvalues --    4.24903   4.25559   4.26956   4.27249   4.27574
 Alpha virt. eigenvalues --    4.27915   4.28331   4.28474   4.28582   4.28608
 Alpha virt. eigenvalues --    4.29015   4.29520   4.29638   4.30122   4.30313
 Alpha virt. eigenvalues --    4.30741   4.31349   4.31603   4.31929   4.31990
 Alpha virt. eigenvalues --    4.32270   4.32571   4.32845   4.33277   4.33587
 Alpha virt. eigenvalues --    4.33895   4.34322   4.34573   4.34969   4.35393
 Alpha virt. eigenvalues --    4.35687   4.35991   4.36444   4.37074   4.37196
 Alpha virt. eigenvalues --    4.37455   4.37896   4.38187   4.38534   4.38853
 Alpha virt. eigenvalues --    4.39557   4.39821   4.40097   4.40451   4.40687
 Alpha virt. eigenvalues --    4.41009   4.41644   4.41993   4.42761   4.43271
 Alpha virt. eigenvalues --    4.44884   4.45341   4.45572   4.46806   4.47146
 Alpha virt. eigenvalues --    4.47978   4.48398   4.48543   4.49206   4.49627
 Alpha virt. eigenvalues --    4.49744   4.50152   4.50623   4.51285   4.51453
 Alpha virt. eigenvalues --    4.51605   4.52413   4.52750   4.53039   4.53676
 Alpha virt. eigenvalues --    4.54388   4.55639   4.56907   4.57469   4.57933
 Alpha virt. eigenvalues --    4.58103   4.58797   4.59361   4.59805   4.60866
 Alpha virt. eigenvalues --    4.61686   4.62188   4.63545   4.63892   4.64735
 Alpha virt. eigenvalues --    4.64791   4.65519   4.65890   4.66067   4.67859
 Alpha virt. eigenvalues --    4.68013   4.68174   4.69019   4.69785   4.70298
 Alpha virt. eigenvalues --    4.70762   4.71350   4.71475   4.71693   4.72056
 Alpha virt. eigenvalues --    4.72713   4.73261   4.73599   4.75103   4.75420
 Alpha virt. eigenvalues --    4.76268   4.76532   4.77061   4.77237   4.78230
 Alpha virt. eigenvalues --    4.78458   4.78501   4.79142   4.80055   4.80397
 Alpha virt. eigenvalues --    4.80670   4.81237   4.81734   4.82345   4.82808
 Alpha virt. eigenvalues --    4.83005   4.83097   4.83274   4.83804   4.84250
 Alpha virt. eigenvalues --    4.84484   4.85528   4.85997   4.86456   4.86888
 Alpha virt. eigenvalues --    4.87242   4.87528   4.89491   4.89858   4.90943
 Alpha virt. eigenvalues --    4.91837   4.92556   4.93292   4.93514   4.94789
 Alpha virt. eigenvalues --    4.95278   4.95560   4.96837   4.96991   4.97329
 Alpha virt. eigenvalues --    4.98016   4.98403   4.98746   4.99056   4.99375
 Alpha virt. eigenvalues --    4.99593   5.00046   5.00541   5.01060   5.01475
 Alpha virt. eigenvalues --    5.01838   5.02330   5.02978   5.03222   5.03302
 Alpha virt. eigenvalues --    5.03602   5.04182   5.04540   5.05135   5.05228
 Alpha virt. eigenvalues --    5.05375   5.06002   5.06291   5.06405   5.06507
 Alpha virt. eigenvalues --    5.06713   5.07047   5.07211   5.07527   5.08410
 Alpha virt. eigenvalues --    5.08616   5.08879   5.09331   5.09458   5.09685
 Alpha virt. eigenvalues --    5.09795   5.09994   5.10652   5.10871   5.11609
 Alpha virt. eigenvalues --    5.11684   5.12668   5.13043   5.13932   5.13955
 Alpha virt. eigenvalues --    5.15002   5.15208   5.15526   5.16030   5.16184
 Alpha virt. eigenvalues --    5.16642   5.16970   5.17306   5.17995   5.18463
 Alpha virt. eigenvalues --    5.19113   5.19592   5.19760   5.20495   5.21583
 Alpha virt. eigenvalues --    5.22188   5.22480   5.23537   5.24583   5.24941
 Alpha virt. eigenvalues --    5.25306   5.26517   5.27088   5.27989   5.28750
 Alpha virt. eigenvalues --    5.29844   5.30148   5.30267   5.30819   5.32040
 Alpha virt. eigenvalues --    5.32507   5.32886   5.33134   5.33502   5.34699
 Alpha virt. eigenvalues --    5.36704   5.37186   5.39199   5.40102   5.41731
 Alpha virt. eigenvalues --    5.43017   5.45772   5.46709   5.47782   5.48346
 Alpha virt. eigenvalues --    5.49134   5.50026   5.50556   5.51146   5.51292
 Alpha virt. eigenvalues --    5.54131   5.54404   5.54844   5.55581   5.56039
 Alpha virt. eigenvalues --    5.56408   5.56533   5.56991   5.57177   5.57636
 Alpha virt. eigenvalues --    5.58829   5.59207   5.59780   5.59971   5.60146
 Alpha virt. eigenvalues --    5.61286   5.61422   5.62277   5.62619   5.64181
 Alpha virt. eigenvalues --    5.64719   5.64993   5.65254   5.65968   5.68318
 Alpha virt. eigenvalues --    5.69663   5.70292   5.71569   5.72401   5.73031
 Alpha virt. eigenvalues --    5.73517   5.74231   5.74799   5.75355   5.75716
 Alpha virt. eigenvalues --    5.76286   5.77339   5.77592   5.78653   5.79206
 Alpha virt. eigenvalues --    5.82141   5.82309   5.83007   5.84396   5.87027
 Alpha virt. eigenvalues --    5.88446   5.91938   5.95786   5.97590   5.98951
 Alpha virt. eigenvalues --    5.99480   6.01047   6.02008   6.03913   6.05228
 Alpha virt. eigenvalues --    6.07322   6.10690   6.12724   6.19687   6.20975
 Alpha virt. eigenvalues --    6.22765   6.23617   6.24230   6.25237   6.28569
 Alpha virt. eigenvalues --    6.32402   6.33664   6.34108   6.36270   6.36985
 Alpha virt. eigenvalues --    6.37469   6.38870   6.40820   6.43087   6.43964
 Alpha virt. eigenvalues --    6.46206   6.48731   6.53856   6.60236   6.67389
 Alpha virt. eigenvalues --    6.68039   6.68726   6.71530   6.77254   6.83042
 Alpha virt. eigenvalues --    6.84084   6.85146   6.86398   6.88257   6.89263
 Alpha virt. eigenvalues --    7.03764   7.11713   7.15544   7.20943   7.33356
 Alpha virt. eigenvalues --    7.36796   7.38095   7.38595   7.42372   7.42728
 Alpha virt. eigenvalues --    7.44003   7.45172   7.45706   7.46623   7.47768
 Alpha virt. eigenvalues --    7.49240   7.51326   7.53067   7.53602   7.54194
 Alpha virt. eigenvalues --    7.54875   7.55297   7.55867   7.56429   7.56559
 Alpha virt. eigenvalues --    7.56839   7.57649   7.57680   7.57941   7.58652
 Alpha virt. eigenvalues --    7.59681   7.60733   7.62701   7.63081   7.63836
 Alpha virt. eigenvalues --    7.65842   7.67525   7.68046   7.69232   7.69846
 Alpha virt. eigenvalues --    7.70291   7.70777   7.71262   7.72702   7.73578
 Alpha virt. eigenvalues --    7.74596   7.75074   7.75476   7.76336   7.76787
 Alpha virt. eigenvalues --    7.77665   7.79307   7.79604   7.79922   7.81973
 Alpha virt. eigenvalues --    7.82570   7.83721   7.83943   7.85177   7.85671
 Alpha virt. eigenvalues --    7.89299   7.89908   7.90490   7.90996   7.92286
 Alpha virt. eigenvalues --    7.93521   7.94961   7.95448   7.96679   7.98125
 Alpha virt. eigenvalues --    7.99038   7.99491   8.00394   8.00456   8.01101
 Alpha virt. eigenvalues --    8.01772   8.02223   8.02892   8.03007   8.04245
 Alpha virt. eigenvalues --    8.05461   8.05902   8.06165   8.06582   8.07032
 Alpha virt. eigenvalues --    8.07368   8.08001   8.08748   8.09343   8.10168
 Alpha virt. eigenvalues --    8.10287   8.11380   8.12592   8.13371   8.14037
 Alpha virt. eigenvalues --    8.16577   8.16746   8.20704   8.21973   8.22272
 Alpha virt. eigenvalues --    8.23339   8.26211   8.27678   8.28493   8.30638
 Alpha virt. eigenvalues --    8.32626   8.37895   8.40692   8.45640   8.47637
 Alpha virt. eigenvalues --    8.48480   8.48760   8.49522   8.49926   8.50228
 Alpha virt. eigenvalues --    8.50753   8.51625   8.52224   8.52970   8.53740
 Alpha virt. eigenvalues --    8.54051   8.54837   8.55699   8.55782   8.56252
 Alpha virt. eigenvalues --    8.56291   8.57641   8.58009   8.58428   8.59485
 Alpha virt. eigenvalues --    8.59661   8.59693   8.60054   8.60675   8.61174
 Alpha virt. eigenvalues --    8.61412   8.61682   8.62173   8.62536   8.63058
 Alpha virt. eigenvalues --    8.63825   8.64231   8.64678   8.65196   8.65650
 Alpha virt. eigenvalues --    8.66196   8.66720   8.67580   8.68676   8.69070
 Alpha virt. eigenvalues --    8.69796   8.70330   8.70941   8.71694   8.72012
 Alpha virt. eigenvalues --    8.73031   8.73728   8.74680   8.75950   8.76548
 Alpha virt. eigenvalues --    8.76817   8.77294   8.78393   8.78801   8.79348
 Alpha virt. eigenvalues --    8.79788   8.80068   8.80514   8.81426   8.81848
 Alpha virt. eigenvalues --    8.82527   8.82813   8.83015   8.83184   8.83453
 Alpha virt. eigenvalues --    8.83830   8.84237   8.84339   8.84748   8.85258
 Alpha virt. eigenvalues --    8.85530   8.85949   8.86962   8.87122   8.87334
 Alpha virt. eigenvalues --    8.88156   8.88682   8.89333   8.89761   8.90527
 Alpha virt. eigenvalues --    8.91049   8.91627   8.92199   8.92732   8.92965
 Alpha virt. eigenvalues --    8.93524   8.94029   8.95333   8.95813   8.97130
 Alpha virt. eigenvalues --    8.98449   8.99680   8.99943   9.01887   9.02579
 Alpha virt. eigenvalues --    9.04006   9.05491   9.08448   9.09383   9.10060
 Alpha virt. eigenvalues --    9.13277   9.21701   9.43816   9.46687   9.47923
 Alpha virt. eigenvalues --    9.48240   9.49853   9.50027   9.52360   9.54885
 Alpha virt. eigenvalues --    9.55801   9.57667   9.68125   9.68582   9.70731
 Alpha virt. eigenvalues --    9.72896   9.73640   9.74658   9.77409   9.79670
 Alpha virt. eigenvalues --    9.79890   9.81900   9.83664   9.85075   9.85847
 Alpha virt. eigenvalues --    9.85857   9.86429   9.87753   9.88842   9.90085
 Alpha virt. eigenvalues --    9.90190   9.90793   9.90915   9.91526   9.91949
 Alpha virt. eigenvalues --    9.92381   9.92551   9.92743   9.93036   9.93676
 Alpha virt. eigenvalues --    9.94771   9.95612   9.96339   9.98447   9.99324
 Alpha virt. eigenvalues --   10.65332  10.66040  10.67457  10.68499  10.69824
 Alpha virt. eigenvalues --   10.72197  10.74471  10.74935  10.76199  10.76299
 Alpha virt. eigenvalues --   10.77307  10.77598  10.82835  10.83099  10.84186
 Alpha virt. eigenvalues --   10.85027  10.87024  10.87992  10.89530  11.04830
 Alpha virt. eigenvalues --   11.05735  11.06554  11.08286  11.08484  11.31452
 Alpha virt. eigenvalues --   11.32880  11.34470  11.40715  11.41678  11.45816
 Alpha virt. eigenvalues --   11.53511  11.55383  11.58255  11.59589  11.61087
 Alpha virt. eigenvalues --   11.71078  11.74156  12.06137  12.07586  12.09004
 Alpha virt. eigenvalues --   14.62644  14.64319  14.67545  14.68986  14.69807
 Alpha virt. eigenvalues --   14.70686  14.73247  14.77537  14.81518  14.85350
 Alpha virt. eigenvalues --   14.86143  14.87551  14.88406  14.91748  14.97090
 Alpha virt. eigenvalues --   14.99363  15.01515  15.06682  15.10693  15.19013
 Alpha virt. eigenvalues --   15.30935  15.32852  15.35374  15.45822  15.93271
 Alpha virt. eigenvalues --   25.10763  25.11606  25.12439  25.16775  25.24390
 Alpha virt. eigenvalues --   25.25871  25.87187  25.87992  25.89824  25.90625
 Alpha virt. eigenvalues --   25.92399  25.93561  25.96845  26.01256  26.02914
 Alpha virt. eigenvalues --   26.06801  26.06998  26.16632  26.31146  26.35424
 Alpha virt. eigenvalues --   26.39509  26.41452  26.42830  26.48334  36.43805
 Alpha virt. eigenvalues --   36.44474  36.45100  36.93070  36.93611  36.94720
 Alpha virt. eigenvalues --   36.95201  36.96876  50.49889  50.57339  50.59936
 Alpha virt. eigenvalues --   50.66047  50.95396
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.360589
     2  C    0.115712
     3  C    0.666772
     4  C   -0.293339
     5  N   -1.135121
     6  C    0.580194
     7  N   -0.169955
     8  C    0.124764
     9  C   -0.007196
    10  C    0.110898
    11  C    0.618625
    12  O   -0.728797
    13  O   -0.839377
    14  C   -0.134810
    15  C    0.099472
    16  C    0.478887
    17  C    0.087807
    18  N   -1.133342
    19  C    0.655097
    20  N   -0.241887
    21  C   -0.234231
    22  C    0.034345
    23  C    0.592619
    24  C   -0.027137
    25  N   -1.172565
    26  C    0.741390
    27  N   -0.197487
    28  H    0.028961
    29  H    0.075726
    30  H   -0.019493
    31  H   -0.052436
    32  H   -0.010423
    33  H   -0.080106
    34  H    0.357923
    35  H    0.127719
    36  H   -0.244670
    37  H    0.005532
    38  H   -0.062447
    39  H    0.045705
    40  H   -0.010526
    41  H   -0.102489
    42  H    0.031337
    43  H    0.024922
    44  H    0.060134
    45  H    0.012113
    46  H   -0.020387
    47  H   -0.019590
    48  H   -0.208428
    49  H    0.356819
    50  H   -0.037169
    51  H    0.025740
    52  H    0.005459
    53  H    0.044259
    54  H   -0.035438
    55  H    0.009565
    56  H   -0.121362
    57  H    0.335260
    58  H   -0.043633
    59  O   -1.141706
    60  H    0.519634
    61  H    0.900457
    62  C    0.701582
    63  O   -0.298409
    64  N   -0.989712
    65  C    0.220576
    66  C    0.940301
    67  O   -0.422452
    68  N   -0.871670
    69  H    0.095102
    70  H   -0.056478
    71  H    0.292925
    72  H    0.252777
    73  C    0.322752
    74  H   -0.090718
    75  H    0.002914
    76  H    0.134952
    77  C   -0.220867
    78  H    0.021810
    79  H    0.041233
    80  H   -0.064323
 Sum of Mulliken charges =  -1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.275396
     2  C    0.052853
     3  C    0.666772
     4  C   -0.373445
     5  N   -0.777197
     6  C    0.707913
     7  N   -0.169955
     8  C   -0.176821
     9  C    0.027982
    10  C    0.039746
    11  C    0.618625
    12  O   -0.728797
    13  O   -0.839377
    14  C   -0.037641
    15  C    0.059496
    16  C    0.478887
    17  C   -0.120621
    18  N   -0.776523
    19  C    0.617928
    20  N   -0.241887
    21  C   -0.158773
    22  C    0.008472
    23  C    0.592619
    24  C   -0.148499
    25  N   -0.837306
    26  C    0.697756
    27  N   -0.197487
    59  O    0.278385
    62  C    0.701582
    63  O   -0.298409
    64  N   -0.696788
    65  C    0.259200
    66  C    0.940301
    67  O   -0.422452
    68  N   -0.618894
    73  C    0.369900
    77  C   -0.222147
 Electronic spatial extent (au):  <R**2>=          20152.8469
 Charge=             -1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              7.6732    Y=             -2.2388    Z=             -4.4008  Tot=              9.1245
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -252.1562   YY=           -213.4353   ZZ=           -222.4770
   XY=              7.8382   XZ=              9.7038   YZ=             -2.1302
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -22.8000   YY=             15.9208   ZZ=              6.8792
   XY=              7.8382   XZ=              9.7038   YZ=             -2.1302
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            184.8492  YYY=            159.0873  ZZZ=              9.5205  XYY=             39.3043
  XXY=             24.5181  XXZ=            -53.8977  XZZ=             94.7248  YZZ=            -28.0019
  YYZ=             12.2760  XYZ=              9.3080
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -13669.0875 YYYY=          -7818.1236 ZZZZ=          -6072.0886 XXXY=            103.3270
 XXXZ=            -30.5473 YYYX=             62.8175 YYYZ=            155.8899 ZZZX=             59.1610
 ZZZY=           -113.8294 XXYY=          -3603.0427 XXZZ=          -3173.1091 YYZZ=          -2383.2584
 XXYZ=            -90.8640 YYXZ=             54.4547 ZZXY=            -29.0143
 N-N= 4.452221762310D+03 E-N=-1.303548763283D+04  KE= 1.744493896721D+03
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 48,1.436637,0.951802\O,0,-3.404517,0.950418,2.066565\O,0,-2.952392,1.9
 72801,0.067829\C,-1,-2.003282,-4.246117,3.025329\C,0,-0.685829,-3.8763
 47,3.738493\C,0,0.071329,-2.768822,3.053501\C,0,-0.135048,-2.068787,1.
 874278\N,0,1.235237,-2.203059,3.602092\C,0,1.678488,-1.204596,2.769333
 \N,0,0.86867,-1.097522,1.706577\C,-1,4.975388,-3.707305,-1.379855\C,0,
 5.305355,-2.350198,-2.037512\C,0,4.297038,-1.289362,-1.687147\C,0,3.34
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 669916\H,0,-2.183051,0.495942,-1.333998\H,0,-0.726323,-2.803171,-3.542
 347\H,0,1.100761,-2.12012,-1.877039\H,0,-4.032063,-1.148565,0.075343\H
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 3.385214,2.976112\H,0,-2.514031,-5.048937,3.568516\H,0,-1.817021,-4.59
 7891,2.002832\H,0,-0.912157,-3.573048,4.771855\H,0,-0.04773,-4.770672,
 3.809398\H,0,-0.936063,-2.173209,1.16183\H,0,1.659448,-2.471072,4.4810
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 73734,3.0778\H,0,4.805904,2.059624,1.454118\H,0,4.666211,3.798247,1.83
 256\\Version=ES64L-G09RevD.01\State=1-A\HF=-1754.5238295\RMSD=1.607e-0
 9\Dipole=3.0099345,-0.9062689,-1.7338045\Quadrupole=-16.8513688,11.753
 0441,5.0983247,6.0236624,7.2253437,-1.6691522\PG=C01 [X(C24H43N8O5)]\\
 @


 THE RED LIGHT IS ALWAYS LONGER THAN THE GREEN LIGHT.

                     -- PETER'S THEORY OF RELATIVITY
 Job cpu time:       1 days 21 hours 15 minutes  6.8 seconds.
 File lengths (MBytes):  RWF=   2517 Int=      0 D2E=      0 Chk=    170 Scr=      1
 Normal termination of Gaussian 09 at Mon Jun 29 02:36:20 2020.
